N-(2-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C27H23FN2O2S — CID 2900686

IUPACN-(2-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2F)C(c2ccsc2)C2=C(CC(c3ccccc3)CC2=O)N1
InChIInChI=1S/C27H23FN2O2S/c1-16-24(27(32)30-21-10-6-5-9-20(21)28)25(18-11-12-33-15-18)26-22(29-16)13-19(14-23(26)31)17-7-3-2-4-8-17/h2-12,15,19,25,29H,13-14H2,1H3,(H,30,32)
InChIKeyGQXORBXKEGXFOO-UHFFFAOYSA-N
MW458.56 g/mol
LogP5.89
Rot. Bonds4

About N-(2-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

N-(2-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 2900686) has the molecular formula C27H23FN2O2S and a molecular weight of 458.56 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID2900686
Molecular FormulaC27H23FN2O2S
Molecular Weight458.56 g/mol
Exact Mass458.15
IUPAC NameN-(2-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2F)C(c2ccsc2)C2=C(CC(c3ccccc3)CC2=O)N1
InChIInChI=1S/C27H23FN2O2S/c1-16-24(27(32)30-21-10-6-5-9-20(21)28)25(18-11-12-33-15-18)26-22(29-16)13-19(14-23(26)31)17-7-3-2-4-8-17/h2-12,15,19,25,29H,13-14H2,1H3,(H,30,32)
InChIKeyGQXORBXKEGXFOO-UHFFFAOYSA-N
XLogP5.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.56
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 5760486
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CID 16012294
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CID 16012304
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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 2900686) is N-(2-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CC1=C(C(=O)Nc2ccccc2F)C(c2ccsc2)C2=C(CC(c3ccccc3)CC2=O)N1.
What is the InChIKey of N-(2-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is GQXORBXKEGXFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN2O2S/c1-16-24(27(32)30-21-10-6-5-9-20(21)28)25(18-11-12-33-15-18)26-22(29-16)13-19(14-23(26)31)17-7-3-2-4-8-17/h2-12,15,19,25,29H,13-14H2,1H3,(H,30,32).
What are the key properties of N-(2-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
N-(2-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 458.56 g/mol, XLogP of 5.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 2900686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).